7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine

C172H233I2N5O13PS2+ — CID 161485450

IUPAC7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine
SMILESCCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C5=O.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=S)c64)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C5=S.CCCCCCCCCCC(CN)CCCCCCCC.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O.[2H][P+]([2H])(I)I=O
InChIInChI=1S/C64H90N2O4.C64H90N2O2S2.C24H8O6.C20H43N.HI2OP/c1-5-9-13-17-21-23-27-31-35-47(33-29-25-19-15-11-7-3)45-65-61(67)53-41-37-49-51-39-43-55-60-56(44-40-52(58(51)60)50-38-42-54(62(65)68)59(53)57(49)50)64(70)66(63(55)69)46-48(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;1-5-9-13-17-21-23-27-31-35-47(33-29-25-19-15-11-7-3)45-65-61(67)53-41-37-49-52-40-44-56-60-54(42-38-50(58(52)60)51-39-43-55(63(65)69)59(53)57(49)51)62(68)66(64(56)70)46-48(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2;1-4-2-3/h2*37-44,47-48H,5-36,45-46H2,1-4H3;1-8H;20H,3-19,21H2,1-2H3;4H/p+1/i;;;;4D/hD
InChIKeyQTVMAANTMWXGRS-RTHQOLEOSA-O
MW2929.71 g/mol
LogP51.70
Rot. Bonds90

About 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine

7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine (PubChem CID 161485450) has the molecular formula C172H233I2N5O13PS2+ and a molecular weight of 2929.71 g/mol. Its IUPAC name is 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine.

Molecular Properties

Compound Name7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine
PubChem CID161485450
Molecular FormulaC172H233I2N5O13PS2+
Molecular Weight2929.71 g/mol
Exact Mass2927.51
IUPAC Name7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine
SMILESCCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C5=O.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=S)c64)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C5=S.CCCCCCCCCCC(CN)CCCCCCCC.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O.[2H][P+]([2H])(I)I=O
InChIInChI=1S/C64H90N2O4.C64H90N2O2S2.C24H8O6.C20H43N.HI2OP/c1-5-9-13-17-21-23-27-31-35-47(33-29-25-19-15-11-7-3)45-65-61(67)53-41-37-49-51-39-43-55-60-56(44-40-52(58(51)60)50-38-42-54(62(65)68)59(53)57(49)50)64(70)66(63(55)69)46-48(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;1-5-9-13-17-21-23-27-31-35-47(33-29-25-19-15-11-7-3)45-65-61(67)53-41-37-49-52-40-44-56-60-54(42-38-50(58(52)60)51-39-43-55(63(65)69)59(53)57(49)51)62(68)66(64(56)70)46-48(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2;1-4-2-3/h2*37-44,47-48H,5-36,45-46H2,1-4H3;1-8H;20H,3-19,21H2,1-2H3;4H/p+1/i;;;;4D/hD
InChIKeyQTVMAANTMWXGRS-RTHQOLEOSA-O
XLogP51.70
TPSA245.21 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds90
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.71
LogP ≤ 551.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine with MolForge

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Related Compounds

7-(2-methyldecyl)-18-(2-methylpropyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione
CID 123359703
7,18-bis(3-octyltridecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrathione
CID 134574155
7,22-bis(2-ethylhexyl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 58212311
7-(2-octyldodecyl)-18-[4-[tris[4-[18-(2-octyldodecyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl]methyl]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 122224467
6-(2-ethylhexyl)-13-(2-methylbutyl)-7,14-bis(sulfanylidene)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,12-dione;6-(2-ethylhexyl)-13-(2-methylbutyl)-14-sulfanylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12-trione
CID 123611859
7-(3-aminopropyl)-18-dodecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 156899697
14,32-bis(2-decyltetradecyl)-5,23-diphenyl-3,7,14,21,25,32-hexazaundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2(26),3,5,7,9,11,16,18,20,22,24,27,29,34(38),35,39-heptadecaene-13,15,31,33-tetrone
CID 126628656
7,18-dihexyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 12662880
11,30-dihexyl-11,30-diazatridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(39),2,4,6,8,13,15,17,19,21,23,25(42),26(35),27(32),28(41),33,36(40),37,43,45-icosaene-10,12,29,31-tetrone
CID 101445919
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
7,22-dihexyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 101144513
2-(2-hexyldecyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione
CID 139255366

Frequently Asked Questions

What is the IUPAC name of 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine?
The IUPAC name of 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine (CID 161485450) is 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine.
What is the SMILES notation for 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine?
The canonical SMILES for 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine is CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C5=O.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=S)c64)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C5=S.CCCCCCCCCCC(CN)CCCCCCCC.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O.[2H][P+]([2H])(I)I=O.
What is the InChIKey of 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine?
The InChIKey is QTVMAANTMWXGRS-RTHQOLEOSA-O. The full InChI is InChI=1S/C64H90N2O4.C64H90N2O2S2.C24H8O6.C20H43N.HI2OP/c1-5-9-13-17-21-23-27-31-35-47(33-29-25-19-15-11-7-3)45-65-61(67)53-41-37-49-51-39-43-55-60-56(44-40-52(58(51)60)50-38-42-54(62(65)68)59(53)57(49)50)64(70)66(63(55)69)46-48(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;1-5-9-13-17-21-23-27-31-35-47(33-29-25-19-15-11-7-3)45-65-61(67)53-41-37-49-52-40-44-56-60-54(42-38-50(58(52)60)51-39-43-55(63(65)69)59(53)57(49)51)62(68)66(64(56)70)46-48(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2;1-4-2-3/h2*37-44,47-48H,5-36,45-46H2,1-4H3;1-8H;20H,3-19,21H2,1-2H3;4H/p+1/i;;;;4D/hD.
What are the key properties of 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine?
7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine has a molecular weight of 2929.71 g/mol, XLogP of 51.70, 90 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis(2-octyldodecyl)-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,17-dione;7,18-bis(2-octyldodecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;dideuterio-iodo-iodosylphosphanium;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-octyldodecan-1-amine is sourced from PubChem (CID 161485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).